Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C28H29N/c1-2-3-4-22-13-16-27-25(17-22)19-28(29-27)26-18-23-10-9-20-5-7-21(8-6-20)11-14-24(26)15-12-23/h5-8,12-13,15-19,29H,2-4,9-11,14H2,1H3
SMILES	CCCCc1ccc2c(c1)cc([nH]2)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	IXQZQCNFGYGWCX-UHFFFAOYSA-N
Exact Mass	379.537 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IXQZQCNFGYGWCX-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/IXQZQCNFGYGWCX-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:38:51.989250
MetadataModified	2024-09-23T09:24:12.446773
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Mar05-2024 date : 20240306 starting time : 1.17 h instrument : Avance NEO label : KT-767 id : 297249 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.